(2R,3R,4S)-1-tert-butyl-4-fluoro-3-methoxy-2-methylpyrrolidine

C10H20FNO — CID 153298911

IUPAC(2R,3R,4S)-1-tert-butyl-4-fluoro-3-methoxy-2-methylpyrrolidine
SMILESCO[C@@H]1[C@@H](C)N(C(C)(C)C)C[C@@H]1F
InChIInChI=1S/C10H20FNO/c1-7-9(13-5)8(11)6-12(7)10(2,3)4/h7-9H,6H2,1-5H3/t7-,8+,9-/m1/s1
InChIKeyMEEVPVGXLANPPS-HRDYMLBCSA-N
MW189.27 g/mol
LogP1.84
Rot. Bonds1

About (2R,3R,4S)-1-tert-butyl-4-fluoro-3-methoxy-2-methylpyrrolidine

(2R,3R,4S)-1-tert-butyl-4-fluoro-3-methoxy-2-methylpyrrolidine (PubChem CID 153298911) has the molecular formula C10H20FNO and a molecular weight of 189.27 g/mol. Its IUPAC name is (2R,3R,4S)-1-tert-butyl-4-fluoro-3-methoxy-2-methylpyrrolidine.

Molecular Properties

Compound Name(2R,3R,4S)-1-tert-butyl-4-fluoro-3-methoxy-2-methylpyrrolidine
PubChem CID153298911
Molecular FormulaC10H20FNO
Molecular Weight189.27 g/mol
Exact Mass189.15
IUPAC Name(2R,3R,4S)-1-tert-butyl-4-fluoro-3-methoxy-2-methylpyrrolidine
SMILESCO[C@@H]1[C@@H](C)N(C(C)(C)C)C[C@@H]1F
InChIInChI=1S/C10H20FNO/c1-7-9(13-5)8(11)6-12(7)10(2,3)4/h7-9H,6H2,1-5H3/t7-,8+,9-/m1/s1
InChIKeyMEEVPVGXLANPPS-HRDYMLBCSA-N
XLogP1.84
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.27
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S)-1-tert-butyl-4-fluoro-3-methoxy-2-methylpyrrolidine?
The IUPAC name of (2R,3R,4S)-1-tert-butyl-4-fluoro-3-methoxy-2-methylpyrrolidine (CID 153298911) is (2R,3R,4S)-1-tert-butyl-4-fluoro-3-methoxy-2-methylpyrrolidine.
What is the SMILES notation for (2R,3R,4S)-1-tert-butyl-4-fluoro-3-methoxy-2-methylpyrrolidine?
The canonical SMILES for (2R,3R,4S)-1-tert-butyl-4-fluoro-3-methoxy-2-methylpyrrolidine is CO[C@@H]1[C@@H](C)N(C(C)(C)C)C[C@@H]1F.
What is the InChIKey of (2R,3R,4S)-1-tert-butyl-4-fluoro-3-methoxy-2-methylpyrrolidine?
The InChIKey is MEEVPVGXLANPPS-HRDYMLBCSA-N. The full InChI is InChI=1S/C10H20FNO/c1-7-9(13-5)8(11)6-12(7)10(2,3)4/h7-9H,6H2,1-5H3/t7-,8+,9-/m1/s1.
What are the key properties of (2R,3R,4S)-1-tert-butyl-4-fluoro-3-methoxy-2-methylpyrrolidine?
(2R,3R,4S)-1-tert-butyl-4-fluoro-3-methoxy-2-methylpyrrolidine has a molecular weight of 189.27 g/mol, XLogP of 1.84, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S)-1-tert-butyl-4-fluoro-3-methoxy-2-methylpyrrolidine is sourced from PubChem (CID 153298911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).